N-[(3,4-dichlorophenyl)methyl]-1-(6-fluoro-3-pyridinyl)pyrrolidin-3-amine;hydrochloride

C16H17Cl3FN3 — CID 68962965

IUPACN-[(3,4-dichlorophenyl)methyl]-1-(6-fluoro-3-pyridinyl)pyrrolidin-3-amine;hydrochloride
SMILESCl.Fc1ccc(N2CCC(NCc3ccc(Cl)c(Cl)c3)C2)cn1
InChIInChI=1S/C16H16Cl2FN3.ClH/c17-14-3-1-11(7-15(14)18)8-20-12-5-6-22(10-12)13-2-4-16(19)21-9-13;/h1-4,7,9,12,20H,5-6,8,10H2;1H
InChIKeyXFVZHCBDXZNRPT-UHFFFAOYSA-N
MW376.69 g/mol
LogP4.32
Rot. Bonds4

About N-[(3,4-dichlorophenyl)methyl]-1-(6-fluoro-3-pyridinyl)pyrrolidin-3-amine;hydrochloride

N-[(3,4-dichlorophenyl)methyl]-1-(6-fluoro-3-pyridinyl)pyrrolidin-3-amine;hydrochloride (PubChem CID 68962965) has the molecular formula C16H17Cl3FN3 and a molecular weight of 376.69 g/mol. Its IUPAC name is N-[(3,4-dichlorophenyl)methyl]-1-(6-fluoro-3-pyridinyl)pyrrolidin-3-amine;hydrochloride.

Molecular Properties

Compound NameN-[(3,4-dichlorophenyl)methyl]-1-(6-fluoro-3-pyridinyl)pyrrolidin-3-amine;hydrochloride
PubChem CID68962965
Molecular FormulaC16H17Cl3FN3
Molecular Weight376.69 g/mol
Exact Mass375.05
IUPAC NameN-[(3,4-dichlorophenyl)methyl]-1-(6-fluoro-3-pyridinyl)pyrrolidin-3-amine;hydrochloride
SMILESCl.Fc1ccc(N2CCC(NCc3ccc(Cl)c(Cl)c3)C2)cn1
InChIInChI=1S/C16H16Cl2FN3.ClH/c17-14-3-1-11(7-15(14)18)8-20-12-5-6-22(10-12)13-2-4-16(19)21-9-13;/h1-4,7,9,12,20H,5-6,8,10H2;1H
InChIKeyXFVZHCBDXZNRPT-UHFFFAOYSA-N
XLogP4.32
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.69
LogP ≤ 54.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Related Compounds

(3S)-1-(6-fluoro-3-pyridinyl)-N-[(4-iodophenyl)methyl]pyrrolidin-3-amine;hydrochloride
CID 68959450
(3S)-1-(6-fluoro-3-pyridinyl)-N-[(3-iodophenyl)methyl]pyrrolidin-3-amine;hydrochloride
CID 68961636
N-[(4,5-dichloro-1,2-thiazol-3-yl)methyl]-1-(6-fluoro-3-pyridinyl)pyrrolidin-3-amine
CID 66870035
N-[(4-bromo-2-fluorophenyl)methyl]-1-(6-fluoro-3-pyridinyl)pyrrolidin-3-amine;hydrochloride
CID 68963775
(3R)-1-(3-chloro-4-fluorophenyl)-N-[(1-methylpyrazol-4-yl)methyl]pyrrolidin-3-amine
CID 97340201
N-[(3,4-dichlorophenyl)methyl]cyclooctanamine;hydrochloride
CID 17331622
N-[(3,4-dichlorophenyl)methyl]-1-pyridazin-3-ylpiperidin-3-amine
CID 119127375
(3S)-1-(4-chloro-3-fluorophenyl)-N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]pyrrolidin-3-amine
CID 97337780
N-[(4-chlorophenyl)methyl]-1-phenylpyrrolidin-3-amine
CID 66854515
1-(3,4-dichlorophenyl)-N-methylpyrrolidin-3-amine
CID 60860458
1-(6-fluoro-3-pyridinyl)pyrrolidin-3-amine
CID 66854552
N-[(3,4-dichlorophenyl)methyl]-1-azabicyclo[2.2.2]octan-3-amine;dihydrochloride
CID 17158967

Frequently Asked Questions

What is the IUPAC name of N-[(3,4-dichlorophenyl)methyl]-1-(6-fluoro-3-pyridinyl)pyrrolidin-3-amine;hydrochloride?
The IUPAC name of N-[(3,4-dichlorophenyl)methyl]-1-(6-fluoro-3-pyridinyl)pyrrolidin-3-amine;hydrochloride (CID 68962965) is N-[(3,4-dichlorophenyl)methyl]-1-(6-fluoro-3-pyridinyl)pyrrolidin-3-amine;hydrochloride.
What is the SMILES notation for N-[(3,4-dichlorophenyl)methyl]-1-(6-fluoro-3-pyridinyl)pyrrolidin-3-amine;hydrochloride?
The canonical SMILES for N-[(3,4-dichlorophenyl)methyl]-1-(6-fluoro-3-pyridinyl)pyrrolidin-3-amine;hydrochloride is Cl.Fc1ccc(N2CCC(NCc3ccc(Cl)c(Cl)c3)C2)cn1.
What is the InChIKey of N-[(3,4-dichlorophenyl)methyl]-1-(6-fluoro-3-pyridinyl)pyrrolidin-3-amine;hydrochloride?
The InChIKey is XFVZHCBDXZNRPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16Cl2FN3.ClH/c17-14-3-1-11(7-15(14)18)8-20-12-5-6-22(10-12)13-2-4-16(19)21-9-13;/h1-4,7,9,12,20H,5-6,8,10H2;1H.
What are the key properties of N-[(3,4-dichlorophenyl)methyl]-1-(6-fluoro-3-pyridinyl)pyrrolidin-3-amine;hydrochloride?
N-[(3,4-dichlorophenyl)methyl]-1-(6-fluoro-3-pyridinyl)pyrrolidin-3-amine;hydrochloride has a molecular weight of 376.69 g/mol, XLogP of 4.32, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3,4-dichlorophenyl)methyl]-1-(6-fluoro-3-pyridinyl)pyrrolidin-3-amine;hydrochloride is sourced from PubChem (CID 68962965), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).